Compile Data Set for Download or QSAR
Found 94 Enz. Inhib. hit(s) with all data for entry = 50007259
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060458((Z)-7-[(1R,2S,3S,4S)-3-(Naphthalene-2-sulfonylamin...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29NO4S/c26-23(27)10-4-2-1-3-9-22-19-11-12-20(15-19)24(22)25-30(28,29)21-14-13-17-7-5-6-8-18(17)16-21/h1,3,5-8,13-14,16,19-20,22,24-25H,2,4,9-12,15H2,(H,26,27)/b3-1-/t19-,20+,22+,24+/m1/s1
Affinity DataIC50: 0.130nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060454((Z)-7-{(1R,2R,3S,5S)-2-[(5-Fluoro-benzo[b]thiophen...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(F)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H30FNO3S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)27-24(30)19-14-31-21-10-9-17(26)13-18(19)21/h3,5,9-10,13-16,20,23H,4,6-8,11-12H2,1-2H3,(H,27,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 0.270nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060462((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 0.400nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060462((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060453((Z)-7-{(1R,2R,3S,5S)-2-[(6-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3cc(O)ccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-13-17(27)9-10-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060454((Z)-7-{(1R,2R,3S,5S)-2-[(5-Fluoro-benzo[b]thiophen...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(F)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H30FNO3S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)27-24(30)19-14-31-21-10-9-17(26)13-18(19)21/h3,5,9-10,13-16,20,23H,4,6-8,11-12H2,1-2H3,(H,27,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060453((Z)-7-{(1R,2R,3S,5S)-2-[(6-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3cc(O)ccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-13-17(27)9-10-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 2.80nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060459((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-7-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1cccc3ccsc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)18-14-17(8-5-3-4-6-11-21(27)28)22(20(25)15-18)26-24(29)19-10-7-9-16-12-13-30-23(16)19/h3,5,7,9-10,12-13,17-18,20,22H,4,6,8,11,14-15H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t17-,18-,20-,22+/m0/s1
Affinity DataIC50: 5.60nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060465((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
Affinity DataIC50: 8.60nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060452((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-3-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)17-13-16(9-5-3-4-6-12-22(27)28)23(20(25)14-17)26-24(29)19-15-30-21-11-8-7-10-18(19)21/h3,5,7-8,10-11,15-17,20,23H,4,6,9,12-14H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t16-,17-,20-,23+/m0/s1
Affinity DataIC50: 22nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060459((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-7-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1cccc3ccsc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)18-14-17(8-5-3-4-6-11-21(27)28)22(20(25)15-18)26-24(29)19-10-7-9-16-12-13-30-23(16)19/h3,5,7,9-10,12-13,17-18,20,22H,4,6,8,11,14-15H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t17-,18-,20-,22+/m0/s1
Affinity DataIC50: 26nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060447((+) 7-[3-(2-Methoxy-dibenzofuran-3-sulfonylamino)-...)
Show SMILES COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C\C=C/CCCC(O)=O)oc1ccccc21
Show InChI InChI=1S/C27H31NO6S/c1-33-24-15-21-20-9-6-7-10-22(20)34-23(21)16-25(24)35(31,32)28-27-18-13-12-17(14-18)19(27)8-4-2-3-5-11-26(29)30/h2,4,6-7,9-10,15-19,27-28H,3,5,8,11-14H2,1H3,(H,29,30)/b4-2-/t17-,18+,19+,27+/m0/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060463((+) 7-[3-(4-Phenylazo-benzenesulfonylamino)-bicycl...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C26H31N3O4S/c30-25(31)11-7-2-1-6-10-24-19-12-13-20(18-19)26(24)29-34(32,33)23-16-14-22(15-17-23)28-27-21-8-4-3-5-9-21/h1,3-6,8-9,14-17,19-20,24,26,29H,2,7,10-13,18H2,(H,30,31)/b6-1-,28-27+/t19-,20+,24+,26+/m0/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060452((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-3-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)17-13-16(9-5-3-4-6-12-22(27)28)23(20(25)14-17)26-24(29)19-15-30-21-11-8-7-10-18(19)21/h3,5,7-8,10-11,15-17,20,23H,4,6,9,12-14H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t16-,17-,20-,23+/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060460((Z)-7-{(1R,2R,3S,5S)-6,6-Dimethyl-2-[(1H-pyrrole-2...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc[nH]1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C21H30N2O3/c1-21(2)15-12-14(8-5-3-4-6-10-18(24)25)19(16(21)13-15)23-20(26)17-9-7-11-22-17/h3,5,7,9,11,14-16,19,22H,4,6,8,10,12-13H2,1-2H3,(H,23,26)(H,24,25)/b5-3-/t14-,15-,16-,19+/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060467((Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060455((Z)-7-{(1R,2R,3S,5S)-6,6-Dimethyl-2-[(thiophene-3-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccsc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C21H29NO3S/c1-21(2)16-11-14(7-5-3-4-6-8-18(23)24)19(17(21)12-16)22-20(25)15-9-10-26-13-15/h3,5,9-10,13-14,16-17,19H,4,6-8,11-12H2,1-2H3,(H,22,25)(H,23,24)/b5-3-/t14-,16-,17-,19+/m0/s1
Affinity DataIC50: 38nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060445((Z)-7-[(1R,2S,3S,4S)-3-(Biphenyl-4-sulfonylamino)-...)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H33NO4S/c1-32-26(29)12-8-3-2-7-11-25-22-13-14-23(19-22)27(25)28-33(30,31)24-17-15-21(16-18-24)20-9-5-4-6-10-20/h2,4-7,9-10,15-18,22-23,25,27-28H,3,8,11-14,19H2,1H3/b7-2-/t22-,23+,25+,27+/m1/s1
Affinity DataIC50: 44nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060448((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
Affinity DataIC50: 47nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060460((Z)-7-{(1R,2R,3S,5S)-6,6-Dimethyl-2-[(1H-pyrrole-2...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc[nH]1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C21H30N2O3/c1-21(2)15-12-14(8-5-3-4-6-10-18(24)25)19(16(21)13-15)23-20(26)17-9-7-11-22-17/h3,5,7,9,11,14-16,19,22H,4,6,8,10,12-13H2,1-2H3,(H,23,26)(H,24,25)/b5-3-/t14-,15-,16-,19+/m0/s1
Affinity DataIC50: 64nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060447((+) 7-[3-(2-Methoxy-dibenzofuran-3-sulfonylamino)-...)
Show SMILES COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C\C=C/CCCC(O)=O)oc1ccccc21
Show InChI InChI=1S/C27H31NO6S/c1-33-24-15-21-20-9-6-7-10-22(20)34-23(21)16-25(24)35(31,32)28-27-18-13-12-17(14-18)19(27)8-4-2-3-5-11-26(29)30/h2,4,6-7,9-10,15-19,27-28H,3,5,8,11-14H2,1H3,(H,29,30)/b4-2-/t17-,18+,19+,27+/m0/s1
Affinity DataIC50: 68nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060461((+) 7-[3-(Dibenzofuran-2-sulfonylamino)-bicyclo[2....)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H29NO5S/c28-25(29)10-4-2-1-3-7-20-17-11-12-18(15-17)26(20)27-33(30,31)19-13-14-24-22(16-19)21-8-5-6-9-23(21)32-24/h1,3,5-6,8-9,13-14,16-18,20,26-27H,2,4,7,10-12,15H2,(H,28,29)/b3-1-/t17-,18+,20+,26+/m0/s1
Affinity DataIC50: 70nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060462((Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(O)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 96nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060448((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
Affinity DataIC50: 120nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060461((+) 7-[3-(Dibenzofuran-2-sulfonylamino)-bicyclo[2....)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H29NO5S/c28-25(29)10-4-2-1-3-7-20-17-11-12-18(15-17)26(20)27-33(30,31)19-13-14-24-22(16-19)21-8-5-6-9-23(21)32-24/h1,3,5-6,8-9,13-14,16-18,20,26-27H,2,4,7,10-12,15H2,(H,28,29)/b3-1-/t17-,18+,20+,26+/m0/s1
Affinity DataIC50: 130nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060466((Z)-(R)-7-[(3R,4S,7S)-6,6-Dimethyl-2-(4-phenylazo-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H35N3O3/c1-29(2)22-18-21(10-6-3-4-9-13-26(33)34)27(25(29)19-22)30-28(35)20-14-16-24(17-15-20)32-31-23-11-7-5-8-12-23/h3,5-8,11-12,14-17,21-22,25,27H,4,9-10,13,18-19H2,1-2H3,(H,30,35)(H,33,34)/b6-3-,32-31+/t21-,22-,25-,27+/m0/s1
Affinity DataIC50: 150nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060459((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-7-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1cccc3ccsc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)18-14-17(8-5-3-4-6-11-21(27)28)22(20(25)15-18)26-24(29)19-10-7-9-16-12-13-30-23(16)19/h3,5,7,9-10,12-13,17-18,20,22H,4,6,8,11,14-15H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t17-,18-,20-,22+/m0/s1
Affinity DataIC50: 210nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060467((Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
Affinity DataIC50: 220nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060468((Z)-7-[(1R,2R,3S,5S)-2-(Dibenzofuran-2-sulfonylami...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NS(=O)(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C28H33NO5S/c1-28(2)19-15-18(9-5-3-4-6-12-26(30)31)27(23(28)16-19)29-35(32,33)20-13-14-25-22(17-20)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,17-19,23,27,29H,4,6,9,12,15-16H2,1-2H3,(H,30,31)/b5-3-/t18-,19-,23-,27+/m0/s1
Affinity DataIC50: 240nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060465((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
Affinity DataIC50: 250nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060451((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
Affinity DataIC50: 250nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060467((Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
Affinity DataIC50: 270nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060465((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
Affinity DataIC50: 280nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060463((+) 7-[3-(4-Phenylazo-benzenesulfonylamino)-bicycl...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C26H31N3O4S/c30-25(31)11-7-2-1-6-10-24-19-12-13-20(18-19)26(24)29-34(32,33)23-16-14-22(15-17-23)28-27-21-8-4-3-5-9-21/h1,3-6,8-9,14-17,19-20,24,26,29H,2,7,10-13,18H2,(H,30,31)/b6-1-,28-27+/t19-,20+,24+,26+/m0/s1
Affinity DataIC50: 320nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060446((Z)-7-((1R,2R,3S,5S)-2-Benzoylamino-6,6-dimethyl-b...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C23H31NO3/c1-23(2)18-14-17(12-6-3-4-9-13-20(25)26)21(19(23)15-18)24-22(27)16-10-7-5-8-11-16/h3,5-8,10-11,17-19,21H,4,9,12-15H2,1-2H3,(H,24,27)(H,25,26)/b6-3-/t17-,18-,19-,21+/m0/s1
Affinity DataIC50: 360nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060466((Z)-(R)-7-[(3R,4S,7S)-6,6-Dimethyl-2-(4-phenylazo-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H35N3O3/c1-29(2)22-18-21(10-6-3-4-9-13-26(33)34)27(25(29)19-22)30-28(35)20-14-16-24(17-15-20)32-31-23-11-7-5-8-12-23/h3,5-8,11-12,14-17,21-22,25,27H,4,9-10,13,18-19H2,1-2H3,(H,30,35)(H,33,34)/b6-3-,32-31+/t21-,22-,25-,27+/m0/s1
Affinity DataIC50: 380nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060452((Z)-7-{(1R,2R,3S,5S)-2-[(Benzo[b]thiophene-3-carbo...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO3S/c1-25(2)17-13-16(9-5-3-4-6-12-22(27)28)23(20(25)14-17)26-24(29)19-15-30-21-11-8-7-10-18(19)21/h3,5,7-8,10-11,15-17,20,23H,4,6,9,12-14H2,1-2H3,(H,26,29)(H,27,28)/b5-3-/t16-,17-,20-,23+/m0/s1
Affinity DataIC50: 380nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060453((Z)-7-{(1R,2R,3S,5S)-2-[(6-Hydroxy-benzo[b]thiophe...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3cc(O)ccc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-13-17(27)9-10-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 410nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060457((Z)-7-[(1S,2R,3R,4R)-3-(Naphthalene-2-sulfonylamin...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29NO4S/c26-23(27)10-4-2-1-3-9-22-19-11-12-20(15-19)24(22)25-30(28,29)21-14-13-17-7-5-6-8-18(17)16-21/h1,3,5-8,13-14,16,19-20,22,24-25H,2,4,9-12,15H2,(H,26,27)/b3-1-/t19-,20+,22+,24+/m0/s1
Affinity DataIC50: 420nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060454((Z)-7-{(1R,2R,3S,5S)-2-[(5-Fluoro-benzo[b]thiophen...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(F)cc13)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C25H30FNO3S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)27-24(30)19-14-31-21-10-9-17(26)13-18(19)21/h3,5,9-10,13-16,20,23H,4,6-8,11-12H2,1-2H3,(H,27,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1
Affinity DataIC50: 430nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060464((+) 7-[3-(Biphenyl-4-sulfonylamino)-bicyclo[2.2.1]...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H31NO4S/c28-25(29)11-7-2-1-6-10-24-21-12-13-22(18-21)26(24)27-32(30,31)23-16-14-20(15-17-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-17,21-22,24,26-27H,2,7,10-13,18H2,(H,28,29)/b6-1-/t21-,22+,24+,26+/m0/s1
Affinity DataIC50: 450nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060445((Z)-7-[(1R,2S,3S,4S)-3-(Biphenyl-4-sulfonylamino)-...)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H33NO4S/c1-32-26(29)12-8-3-2-7-11-25-22-13-14-23(19-22)27(25)28-33(30,31)24-17-15-21(16-18-24)20-9-5-4-6-10-20/h2,4-7,9-10,15-18,22-23,25,27-28H,3,8,11-14,19H2,1H3/b7-2-/t22-,23+,25+,27+/m1/s1
Affinity DataIC50: 460nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060445((Z)-7-[(1R,2S,3S,4S)-3-(Biphenyl-4-sulfonylamino)-...)
Show SMILES COC(=O)CCC\C=C/C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H33NO4S/c1-32-26(29)12-8-3-2-7-11-25-22-13-14-23(19-22)27(25)28-33(30,31)24-17-15-21(16-18-24)20-9-5-4-6-10-20/h2,4-7,9-10,15-18,22-23,25,27-28H,3,8,11-14,19H2,1H3/b7-2-/t22-,23+,25+,27+/m1/s1
Affinity DataIC50: 520nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060466((Z)-(R)-7-[(3R,4S,7S)-6,6-Dimethyl-2-(4-phenylazo-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C29H35N3O3/c1-29(2)22-18-21(10-6-3-4-9-13-26(33)34)27(25(29)19-22)30-28(35)20-14-16-24(17-15-20)32-31-23-11-7-5-8-12-23/h3,5-8,11-12,14-17,21-22,25,27H,4,9-10,13,18-19H2,1-2H3,(H,30,35)(H,33,34)/b6-3-,32-31+/t21-,22-,25-,27+/m0/s1
Affinity DataIC50: 540nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060464((+) 7-[3-(Biphenyl-4-sulfonylamino)-bicyclo[2.2.1]...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H31NO4S/c28-25(29)11-7-2-1-6-10-24-21-12-13-22(18-21)26(24)27-32(30,31)23-16-14-20(15-17-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-17,21-22,24,26-27H,2,7,10-13,18H2,(H,28,29)/b6-1-/t21-,22+,24+,26+/m0/s1
Affinity DataIC50: 600nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060457((Z)-7-[(1S,2R,3R,4R)-3-(Naphthalene-2-sulfonylamin...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29NO4S/c26-23(27)10-4-2-1-3-9-22-19-11-12-20(15-19)24(22)25-30(28,29)21-14-13-17-7-5-6-8-18(17)16-21/h1,3,5-8,13-14,16,19-20,22,24-25H,2,4,9-12,15H2,(H,26,27)/b3-1-/t19-,20+,22+,24+/m0/s1
Affinity DataIC50: 670nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060456((+) 7-[3-(4-Phenoxy-benzenesulfonylamino)-bicyclo[...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31NO5S/c28-25(29)11-7-2-1-6-10-24-19-12-13-20(18-19)26(24)27-33(30,31)23-16-14-22(15-17-23)32-21-8-4-3-5-9-21/h1,3-6,8-9,14-17,19-20,24,26-27H,2,7,10-13,18H2,(H,28,29)/b6-1-/t19-,20+,24+,26+/m0/s1
Affinity DataIC50: 720nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetThromboxane A2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060449((Z)-(R)-7-[(3R,4S,7S)-6,6-Dimethyl-2-(4-phenylazo-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C28H35N3O4S/c1-28(2)21-18-20(10-6-3-4-9-13-26(32)33)27(25(28)19-21)31-36(34,35)24-16-14-23(15-17-24)30-29-22-11-7-5-8-12-22/h3,5-8,11-12,14-17,20-21,25,27,31H,4,9-10,13,18-19H2,1-2H3,(H,32,33)/b6-3-,30-29+/t20-,21-,25-,27+/m0/s1
Affinity DataIC50: 740nMAssay Description:Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assayMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060468((Z)-7-[(1R,2R,3S,5S)-2-(Dibenzofuran-2-sulfonylami...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NS(=O)(=O)c1ccc3oc4ccccc4c3c1)[C@@H](C\C=C/CCCC(O)=O)C2
Show InChI InChI=1S/C28H33NO5S/c1-28(2)19-15-18(9-5-3-4-6-12-26(30)31)27(23(28)16-19)29-35(32,33)20-13-14-25-22(17-20)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,17-19,23,27,29H,4,6,9,12,15-16H2,1-2H3,(H,30,31)/b5-3-/t18-,19-,23-,27+/m0/s1
Affinity DataIC50: 780nMAssay Description:Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranesMore data for this Ligand-Target Pair
TargetProstaglandin D2 receptor(Homo sapiens (Human))
Shionogi & Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50060456((+) 7-[3-(4-Phenoxy-benzenesulfonylamino)-bicyclo[...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H31NO5S/c28-25(29)11-7-2-1-6-10-24-19-12-13-20(18-19)26(24)27-33(30,31)23-16-14-22(15-17-23)32-21-8-4-3-5-9-21/h1,3-6,8-9,14-17,19-20,24,26-27H,2,7,10-13,18H2,(H,28,29)/b6-1-/t19-,20+,24+,26+/m0/s1
Affinity DataIC50: 780nMAssay Description:Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human plateletsMore data for this Ligand-Target Pair
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